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Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F

Timothy Clark; Jayaraman Chandrasekhar; Günther W. Spitznagel; Paul von Ragué Schleyer · Journal of Computational Chemistry · 1983

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Abstract The relatively small diffuse function‐augmented basis set, 3‐21+G, is shown to describe anion geometries and proton affinities adequately. The diffuse sp orbital exponents are recommended for general use to augment larger basis sets.

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APA 7

Clark, T, Chandrasekhar, J, Spitznagel, G. W, & Schleyer, P. V. R. (1983). Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F. https://doi.org/10.1002/jcc.540040303

MLA

Clark, Timothy, et al. "Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F." 1983. https://doi.org/10.1002/jcc.540040303.

Chicago

Clark, Timothy, Jayaraman Chandrasekhar, Günther W. Spitznagel, and Paul von Ragué Schleyer. 1983. "Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F.". https://doi.org/10.1002/jcc.540040303.

Harvard

Clark, T. et al. 1983, Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F, Journal of Computational Chemistry, available at: https://doi.org/10.1002/jcc.540040303 [Accessed 10 Aug. 2026].

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Title
Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F
Author / contributors
Timothy Clark; Jayaraman Chandrasekhar; Günther W. Spitznagel; Paul von Ragué Schleyer
Publisher
Journal of Computational Chemistry
Publication year
1983
Language
English

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